2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine

C13H21N3O — CID 133310058

IUPAC2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
SMILESCCOCC1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-3-17-10-12-5-8-16(9-6-12)13-14-7-4-11(2)15-13/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyZULZMKAWIVGCEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine

2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine (PubChem CID 133310058) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
PubChem CID133310058
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
SMILESCCOCC1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-3-17-10-12-5-8-16(9-6-12)13-14-7-4-11(2)15-13/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyZULZMKAWIVGCEO-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
CID 133309388
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine (CID 133310058) is 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine is CCOCC1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
The InChIKey is ZULZMKAWIVGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-17-10-12-5-8-16(9-6-12)13-14-7-4-11(2)15-13/h4,7,12H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine?
2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 133310058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).